N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide

C20H24N2O3 — CID 71810558

IUPACN-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide
SMILESCOC(CNC(=O)C(=O)NC(C)c1ccccc1)c1ccccc1C
InChIInChI=1S/C20H24N2O3/c1-14-9-7-8-12-17(14)18(25-3)13-21-19(23)20(24)22-15(2)16-10-5-4-6-11-16/h4-12,15,18H,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVCYOKBQHOLKYGS-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.68
Rot. Bonds6

About N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide

N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide (PubChem CID 71810558) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide
PubChem CID71810558
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide
SMILESCOC(CNC(=O)C(=O)NC(C)c1ccccc1)c1ccccc1C
InChIInChI=1S/C20H24N2O3/c1-14-9-7-8-12-17(14)18(25-3)13-21-19(23)20(24)22-15(2)16-10-5-4-6-11-16/h4-12,15,18H,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVCYOKBQHOLKYGS-UHFFFAOYSA-N
XLogP2.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea
CID 97417874
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 99876519
N'-cyclopropyl-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 71810552
N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 90598970
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
CID 111119523
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea
CID 97417882
N'-(3-chloro-2-methylphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 90598984
N'-(3,4-dimethoxyphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 90598995
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 97417837
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 90598696

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide?
The IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide (CID 71810558) is N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide is COC(CNC(=O)C(=O)NC(C)c1ccccc1)c1ccccc1C.
What is the InChIKey of N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide?
The InChIKey is VCYOKBQHOLKYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-9-7-8-12-17(14)18(25-3)13-21-19(23)20(24)22-15(2)16-10-5-4-6-11-16/h4-12,15,18H,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide?
N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide has a molecular weight of 340.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide is sourced from PubChem (CID 71810558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).